CID 173009795

C14H10NaO8S — CID 173009795

IUPAC—
SMILESO=C(O)c1cc(Oc2ccc(S(=O)(=O)O)cc2)cc(C(=O)O)c1.[Na]
InChIInChI=1S/C14H10O8S.Na/c15-13(16)8-5-9(14(17)18)7-11(6-8)22-10-1-3-12(4-2-10)23(19,20)21;/h1-7H,(H,15,16)(H,17,18)(H,19,20,21);
InChIKeyICGYVDHBOZABSO-UHFFFAOYSA-N
MW361.28 g/mol
LogP1.74
Rot. Bonds5

About CID 173009795

CID 173009795 (PubChem CID 173009795) has the molecular formula C14H10NaO8S and a molecular weight of 361.28 g/mol.

Molecular Properties

Compound NameCID 173009795
PubChem CID173009795
Molecular FormulaC14H10NaO8S
Molecular Weight361.28 g/mol
Exact Mass361.00
IUPAC Name—
SMILESO=C(O)c1cc(Oc2ccc(S(=O)(=O)O)cc2)cc(C(=O)O)c1.[Na]
InChIInChI=1S/C14H10O8S.Na/c15-13(16)8-5-9(14(17)18)7-11(6-8)22-10-1-3-12(4-2-10)23(19,20)21;/h1-7H,(H,15,16)(H,17,18)(H,19,20,21);
InChIKeyICGYVDHBOZABSO-UHFFFAOYSA-N
XLogP1.74
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze CID 173009795 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-sulfonaphthalene-2,7-dicarboxylic acid;5-(4-sulfophenoxy)benzene-1,3-dicarboxylic acid
CID 87214682
3-methoxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 59649435
3-hydroxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 23093006
3-amino-5-[4-(3-amino-5-carboxyphenoxy)phenoxy]benzoic acid
CID 139816364
3-bromo-5-(4-bromophenoxy)benzoic acid
CID 102823551
4-[4-[4-[4-[4-(4-carboxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]benzoic acid
CID 22404867
5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid
CID 63852234
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
3-[(2S)-1-hydroxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 59404949
3-(4-ethylsulfonylphenoxy)benzoic acid
CID 61395541
5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 63850017
phosphane;5-sulfooxybenzene-1,3-dicarboxylic acid
CID 173149538

Frequently Asked Questions

What is the IUPAC name of CID 173009795?
The IUPAC name of CID 173009795 (CID 173009795) is not available.
What is the SMILES notation for CID 173009795?
The canonical SMILES for CID 173009795 is O=C(O)c1cc(Oc2ccc(S(=O)(=O)O)cc2)cc(C(=O)O)c1.[Na].
What is the InChIKey of CID 173009795?
The InChIKey is ICGYVDHBOZABSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O8S.Na/c15-13(16)8-5-9(14(17)18)7-11(6-8)22-10-1-3-12(4-2-10)23(19,20)21;/h1-7H,(H,15,16)(H,17,18)(H,19,20,21);.
What are the key properties of CID 173009795?
CID 173009795 has a molecular weight of 361.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173009795 is sourced from PubChem (CID 173009795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).